3-(4-chlorophenyl)-4-oxidanylidene-N-(2-thiophen-2-ylethyl)phthalazine-1-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-4-oxidanylidene-N-(2-thiophen-2-ylethyl)phthalazine-1-carboxamide Openeye Name: 3-(4-chlorophenyl)-4-oxo-N-[2-(2-thienyl)ethyl]phthalazine-1-carboxamide CAS Name: 3-(4-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)-1-phthalazinecarboxamide IUPAC Name: 3-(4-chlorophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)phthalazine-1-carboxamide Traditional Name: 3-(4-chlorophenyl)-4-keto-N-[2-(2-thienyl)ethyl]phthalazine-1-carboxamide Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(=O)NCCC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(=O)NCCC4=CC=CS4

InChI

InChI=1S/C21H16ClN3O2S/c22-14-7-9-15(10-8-14)25-21(27)18-6-2-1-5-17(18)19(24-25)20(26)23-12-11-16-4-3-13-28-16/h1-10,13H,11-12H2,(H,23,26)